Validamycin A

enlarge

Systematic / IUPAC Name: (1R,2R,3S,4S,6R)-2,3-Dihydroxy-6-(hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}cyclohexyl β-D-glucopyranoside

ID: Reference5844

Other Names: (+)-Validamycin A;
D-Chiro-inositol, 1,5,6-trideoxy-3-O-β-D-glucopyranosyl-;
Jinganmycin A;
Jinggangmycin;
Validacin ; more

Formula: C20H35NO13

Class: Endogenous Metabolites

Spectral Data

Validamycin A mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/27/2016 8:20:38 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1
InChI Key JARYYMUOCXVXNK-CSLFJTBJSA-N
Canonical SMILES C1C(C(C(C(C1NC2C=C(C(C(C2O)O)O)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O)CO
CAS 37248478
Splash
Other Names (+)-Validamycin A;
D-Chiro-inositol, 1,5,6-trideoxy-3-O-β-D-glucopyranosyl-;
Jinganmycin A;
Jinggangmycin;
Validacin;
Validamycin;
Valimon;
(1R,2R,3S,4S,6R)-2,3-Dihydroxy-6-(hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl β-D-glucopyranoside;
(1S-(1α,4α,5β,6α))-1,5,6-Trideoxy-4-O-β-D-glucopyranosyl-5-(hydroxymethyl)-1-{[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-D-chiro-inositol ;
(2R,3R,4S,5S,6R)-2-((1R,2R,3S,4S,6R)-2,3-Dihydroxy-6-(hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol ;
(2R,3R,4S,5S,6R)-2-((1R,2R,3S,4S,6R)-2,3-Dihydroxy-6-(hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol ;
1,5,6-Trideoxy-4-O-β-D-glucopyranosyl-5-(hydroxymethyl)-1-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-D-chiro-inositol ;
1L-(1,3,4/2,6)-2,3-Dihydroxy-6-hydroxymethyl-4-[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-hydroxymethylcyclohex-2-enylamino]cyclohexyl β-D-glucopyranoside ;
D-1,5,6-Trideoxy-3-O-β-D-glucopyranosyl-5-(hydroxymethyl)-1-{[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-D-chiroinositol

In Other Databases

ChEBI CHEBI:29703
KEGG C12112
Wikipedia Validamycin
ChEMBL CHEMBL1923413
PubChem 443629
ChemSpider 391771